4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran

C31H22O — CID 67964725

IUPAC4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
SMILESCc1ccc(-c2cccc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)c2)cc1
InChIInChI=1S/C31H22O/c1-21-15-17-22(18-16-21)23-7-4-8-24(19-23)25-9-5-10-26(20-25)27-12-6-13-29-28-11-2-3-14-30(28)32-31(27)29/h2-20H,1H3
InChIKeyJOQZVFATXDNORU-UHFFFAOYSA-N
MW410.52 g/mol
LogP8.90
Rot. Bonds3

About 4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran

4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran (PubChem CID 67964725) has the molecular formula C31H22O and a molecular weight of 410.52 g/mol. Its IUPAC name is 4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran.

Molecular Properties

Compound Name4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
PubChem CID67964725
Molecular FormulaC31H22O
Molecular Weight410.52 g/mol
Exact Mass410.17
IUPAC Name4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
SMILESCc1ccc(-c2cccc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)c2)cc1
InChIInChI=1S/C31H22O/c1-21-15-17-22(18-16-21)23-7-4-8-24(19-23)25-9-5-10-26(20-25)27-12-6-13-29-28-11-2-3-14-30(28)32-31(27)29/h2-20H,1H3
InChIKeyJOQZVFATXDNORU-UHFFFAOYSA-N
XLogP8.90
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran
CID 70812680
4-[3-[bis[4-[3-(4-methylphenyl)phenyl]phenyl]methyl]phenyl]dibenzofuran
CID 59136862
4-[3-(6-methyl-9,10-diphenylanthracen-2-yl)phenyl]dibenzofuran
CID 58262030
3-dibenzofuran-4-yl-N,N-bis[4-[3-(4-methylphenyl)phenyl]phenyl]aniline;3-dibenzofuran-4-yl-N,N-bis[4-[4-(4-methylphenyl)phenyl]phenyl]aniline;3-dibenzofuran-4-yl-N,N-bis[4-(2-phenylphenyl)phenyl]aniline;3-dibenzofuran-4-yl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
CID 162075230
4-[6-dibenzofuran-4-yl-9,10-bis(4-methylphenyl)anthracen-2-yl]dibenzofuran
CID 58991809
4-[3-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran
CID 168845323
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
4-[2-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 165104271
4-[3-[10-(2-methylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 143811472
4-(3-dibenzofuran-4-ylphenyl)benzonitrile
CID 90393148
4-[4-[6-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170289932
N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 161468375

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran?
The IUPAC name of 4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran (CID 67964725) is 4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran.
What is the SMILES notation for 4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran?
The canonical SMILES for 4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran is Cc1ccc(-c2cccc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)c2)cc1.
What is the InChIKey of 4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran?
The InChIKey is JOQZVFATXDNORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22O/c1-21-15-17-22(18-16-21)23-7-4-8-24(19-23)25-9-5-10-26(20-25)27-12-6-13-29-28-11-2-3-14-30(28)32-31(27)29/h2-20H,1H3.
What are the key properties of 4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran?
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran has a molecular weight of 410.52 g/mol, XLogP of 8.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran is sourced from PubChem (CID 67964725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).